CID 120323

Tributyltin isocyanate

Structural Information

Molecular Formula

C₁₃H₂₇NOSn

SMILES

CCCC[Sn](CCCC)(CCCC)N=C=O

InChI

InChI=1S/3C4H9.CNO.Sn/c3*1-3-4-2;2-1-3;/h3*1,3-4H2,2H3;;/q;;;-1;+1

InChIKey

YGUNDMHXMXDGII-UHFFFAOYSA-N

Compound name

tributyl(isocyanato)stannane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 90
Patents: 333.11148 Da
Monoisotopic Mass: None
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	334.11876	175.0
[M+Na]+	356.10070	183.0
[M+NH4]+	351.14530	181.1
[M+K]+	372.07464	175.0
[M-H]-	332.10420	174.1
[M+Na-2H]-	354.08615	176.3
[M]+	333.11093	175.6
[M]-	333.11203	175.6

Literature stripe

literature stripe

Patent stripe

patents stripe